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The structure of lactarorufin B is verified by X-ray analysis. Crystals of the title compound, C 22 H 23 O 5 Br, are monoclinic,  a  = 16.55,  b  = 6.75,  c  = 20.07 Å,  β  = 111.7°,  Z  = 4, space group C2. The intensities were collected on a diffractometer using Cu Kα  radiation. A Patterson synthesis revealed the heavy-atom position. A block-diagonal and full-matrix least-squares refinement with anisotropic temperature factors for non-hydrogen atoms led to a final R of 6.9 %. The results indicate that the lactone carbonyl oxygen occurs at C(5) and not at C(13) as was deduced earlier from chemical and spectroscopic evidences.

Crystal and molecular structure of lactarorufin B 3,8-ether 14-p-bromobenzoate